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Olanzapine-M (N-oxide) MS2
SpectraBase Compound ID 1nif0hlGG2e
InChI InChI=1S/C17H21N4OS/c1-12-11-15-16(23-12)17(20-7-9-21(2,22)10-8-20)19-14-6-4-3-5-13(14)18-15/h3-6,11,18,22H,7-10H2,1-2H3/q+1
InChIKey JZPSOHCQCNEIEF-UHFFFAOYSA-N
Mol Weight 329.44 g/mol
Molecular Formula C17H21N4OS
Exact Mass 329.143607 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID KuZtTRsBde4
Name Olanzapine-M (N-oxide) MS2
Comments F: ITMS + c ESI d w Full ms2 329.30
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Formula C17H21N4OS
InChI InChI=1S/C17H21N4OS/c1-12-11-15-16(23-12)17(20-7-9-21(2,22)10-8-20)19-14-6-4-3-5-13(14)18-15/h3-6,11,18,22H,7-10H2,1-2H3/q+1
InChIKey JZPSOHCQCNEIEF-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES N1C2=C(N=C(N3CC[N+](CC3)(C)O)C3=C1C=C(S3)C)C=CC=C2
Sample Comments The MWW Reference Handbook and associated table are attached to Record #1, under the Attachments tab. Refer to these references for the sample preparation procedure and abbreviations, as well as other relevant information pertaining to this database.
Sample Description Analyte Type: Metabolite
Source of Spectrum Maurer/Wissenbach/Weber, Saarland University
Spectrum Type ms2
Technique ITMS